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81807-32-1 | Iodonium, (pentafluoroethyl)phenyl-, sulfate (1:1)
CAS No: 81807-32-1 Catalog No: AG0050CO MDL No:
Product Description
Catalog Number:
AG0050CO
Chemical Name:
Iodonium, (pentafluoroethyl)phenyl-, sulfate (1:1)
CAS Number:
81807-32-1
Molecular Formula:
C8H6F5IO4S
Molecular Weight:
420.0923
IUPAC Name:
hydrogen sulfate;1,1,2,2,2-pentafluoroethyl(phenyl)iodanium
InChI:
InChI=1S/C8H5F5I.H2O4S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
QNTMIZIPMDGYSA-UHFFFAOYSA-M
SMILES:
FC(C(F)(F)F)([I+]c1ccccc1)F.[O-]S(=O)(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.895g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.088g/mol
Monoisotopic Mass:
419.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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